1-(4-fluorophenyl)-4-{1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl}piperazine

• ChemBase ID: 585882
• Molecular Formular: C26H34F2N4
• Molecular Mass: 440.5717664
• Monoisotopic Mass: 440.27515355
• SMILES: N1(CC(N2CCN(c3ccc(cc3)F)CC2)CCC1)C1CCN(c2c(F)cccc2)CC1
• Canonical SMILES: Fc1ccc(cc1)N1CCN(CC1)C1CCCN(C1)C1CCN(CC1)c1ccccc1F
• InChI: InChI=1S/C26H34F2N4/c27-21-7-9-22(10-8-21)29-16-18-30(19-17-29)24-4-3-13-32(20-24)23-11-14-31(15-12-23)26-6-2-1-5-25(26)28/h1-2,5-10,23-24H,3-4,11-20H2
• InChIKey: SLODYQLLIGDTCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-4-{1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl}piperazine
• IUPAC Traditional name: 1-(4-fluorophenyl)-4-{1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl}piperazine
• Synonyms: 1'-(2-fluorophenyl)-3-[4-(4-fluorophenyl)-1-piperazinyl]-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0394276
• LogD (pH = 7.4): 2.3493917
• Log P: 4.6159487
• Molar Refractivity: 128.1494 cm^3
• Polarizability: 48.154377 Å^3
• Polar Surface Area: 12.96 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.87
• LOG S: -5.32
• Polar Surface Area: 12.96 Å^2
• Rotatable Bonds: 4